2-(1H-imidazol-5-ylmethoxy)ethyl-trimethyl-azanium; 2,4,6-trinitrophenolate

Systemtic Name: 2-(1H-imidazol-5-ylmethoxy)ethyl-trimethyl-azanium; 2,4,6-trinitrophenolate Openeye Name: 2-(1H-imidazol-5-ylmethoxy)ethyl-trimethyl-ammonium; 2,4,6-trinitrophenolate CAS Name: 2-(1H-imidazol-5-ylmethoxy)ethyl-trimethylammonium; 2,4,6-trinitrophenolate IUPAC Name: 2-(1H-imidazol-5-ylmethoxy)ethyl-trimethylazanium; 2,4,6-trinitrophenolate Traditional Name: 2-(1H-imidazol-5-ylmethoxy)ethyl-trimethyl-ammonium dipicrate Formula: C21H22N9O15- MolecularWeight: 640.45068

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOCC1=CN=CN1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCOCC1=CN=CN1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H18N3O.2C6H3N3O7/c1-12(2,3)4-5-13-7-9-6-10-8-11-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,8H,4-5,7H2,1-3H3,(H,10,11);2*1-2,10H/q+1;;/p-2